Mol:FL3FAAGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.6352 -0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6352 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7935 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7935 -0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 -1.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 -0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 0.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 -2.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6645 -0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3926 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3926 0.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6645 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 0.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3493 0.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -2.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8961 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2585 -0.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3604 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 0.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7077 0.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1204 -0.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 -0.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 2.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 2.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 26 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 30 31 32 M SBL 1 1 35 M SMT 1 ^ COOH M SBV 1 35 0.5538 -1.1608 S SKP 5 ID FL3FAAGS0010 FORMULA C21H18O11 EXACTMASS 446.084911418 AVERAGEMASS 446.36102 SMILES C(C(Oc(c4)cc(c(c4O)3)OC(=CC(=O)3)c(c2)ccc(O)c2)1)(O)C(O)C(C(C(O)=O)O1)O M END